Products for Research Use Only
RegisterLogin

Isoquercetin

CAT: 0127-BUP10283-05Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP10283-05Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
482-35-9
Synonyms
3-Glucosylquercetin, Hirsutrin, Isoquercitrin, Quercetin 3-o-glucopyranoside
Purity
=98%
Smiles
OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

Chemical Information

Isoquercetin

Quercetin 3-O-beta-D-glucopyranoside is a quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, a histamine antagonist, a bone density conservation agent, an antipruritic drug, an osteogenesis regulator and a plant metabolite. It is a beta-D-glucoside, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside. It is functionally related to a beta-D-glucose. It is a conjugate acid of a quercetin 3-O-beta-D-glucopyranoside(1-).

CAS Number482-35-9
PubChem CID5280804
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O12
Molecular Weight464.4
XLogP0.4
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity758
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
InChIKey
OVSQVDMCBVZWGM-QSOFNFLRSA-N
Chemical Structure
2D Structure
2D structure of Isoquercetin
CAS: 482-35-9
CID: 5280804
Formula: C21H20O12
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP30.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass464.09547607
Monoisotopic Mass464.09547607
Topological Polar Surface Area207 Ų
Heavy Atom Count33
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP01382-01Isoquercitrin-7-O-gentiobioside

Alternative Products

CatalogName
530681Isoquercetin
N1945-20Isoquercitrin;Isoquercetin; Isoquercitroside
RM-Q050902-01Isoquercetin Impurity 1
RM-Q050901-01Isoquercetin (Quercetin 3-O-Beta-D-Glucoside)

Popular Products